SEQ2FUN

BioLiP

PDB CCD ID: AV4
Number of entries in BioLiP: 4
Chemical formula: C15 H15 N O2
InChI: InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKey: IGKUVSHRCBIVKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C)c1cccc(c1)c2cccc(c2)C(=O)O
CACTVS 3.385CN(C)c1cccc(c1)c2cccc(c2)C(O)=O
Name:3-[3-(dimethylamino)phenyl]benzoic acid
ChEMBL: CHEMBL4173706
ZINC: ZINC000031996916
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).